Home Halogens 4-(benzylsulfanyl)-3-bromoaniline

4-(benzylsulfanyl)-3-bromoaniline

CAS No.:
1250718-37-6
Catalog Number:
AG01C51I
Molecular Formula:
C13H12BrNS
Molecular Weight:
294.2101
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Product Description
Catalog Number:
AG01C51I
Chemical Name:
4-(benzylsulfanyl)-3-bromoaniline
CAS Number:
1250718-37-6
Molecular Formula:
C13H12BrNS
Molecular Weight:
294.2101
MDL Number:
MFCD16085603
IUPAC Name:
4-benzylsulfanyl-3-bromoaniline
InChI:
InChI=1S/C13H12BrNS/c14-12-8-11(15)6-7-13(12)16-9-10-4-2-1-3-5-10/h1-8H,9,15H2
InChI Key:
CVUSRLKCPZSSIY-UHFFFAOYSA-N
SMILES:
Nc1ccc(c(c1)Br)SCc1ccccc1
Properties
Complexity:
206  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.987g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
294.21g/mol
Monoisotopic Mass:
292.987g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  
Properties